CID 62740777

1-(2-methoxyethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
COCCC1(CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-13-8-7-10(9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKey
KFHOGBPKUCFXMH-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 143.1
[M+Na]+ 209.114818 147.4
[M-H]- 185.118324 144.3
[M+NH4]+ 204.159423 163.7
[M+K]+ 225.088758 146.7
[M+H-H2O]+ 169.122860 138.2
[M+HCOO]- 231.123801 161.3
[M+CH3COO]- 245.139451 178.4
[M+Na-2H]- 207.100266 147.2
[M]+ 186.12505142 140.5
[M]- 186.12614858 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe